Statistics – Computation
Scientific paper
Aug 2011
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2011georl..3816319z&link_type=abstract
Geophysical Research Letters, Volume 38, Issue 16, CiteID L16319
Statistics
Computation
Computational Geophysics: Modeling (1952, 4255, 4316), Geochemistry: Geochemical Modeling (3610, 8410)
Scientific paper
It is shown that the mechanic properties of MgSiO3 at temperature and pressure conditions of the Earth's D″ layer are strongly affected by perovskite/post-perovskite stacking faults and, more generally, perovskite → post-perovskite → perovskite phase transitions. We employ molecular dynamics simulations to explore different shearing routes for {010} layers in the perovskite structure. While the yield strength was found as about 1 GPa for layer displacement along [100], [101] and [001], the underlying mechanisms differ considerably. Shear along [101] induces the formation of a perovskite/post-perovskite stacking fault. Once such a stacking fault arrangement is formed, further shearing is facilitated and the yield strength is reduced to 0.25 GPa. Thus, perovskite/post-perovskite stacking faults and/or perovskite/post-perovskite phase interfaces are suggested as the preferential slip layers of MgSiO3 in the Earth's D″ layer.
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